ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate

C16H14Cl3NO3 — CID 169258499

IUPACethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)c(Cl)c(C)n(C)c1=O
InChIInChI=1S/C16H14Cl3NO3/c1-4-23-16(22)13-12(9-5-6-10(17)11(18)7-9)14(19)8(2)20(3)15(13)21/h5-7H,4H2,1-3H3
InChIKeyKAGHQXABHYBJBH-UHFFFAOYSA-N
MW374.65 g/mol
LogP4.50
Rot. Bonds3

About ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate

ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate (PubChem CID 169258499) has the molecular formula C16H14Cl3NO3 and a molecular weight of 374.65 g/mol. Its IUPAC name is ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate
PubChem CID169258499
Molecular FormulaC16H14Cl3NO3
Molecular Weight374.65 g/mol
Exact Mass373.00
IUPAC Nameethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)c(Cl)c(C)n(C)c1=O
InChIInChI=1S/C16H14Cl3NO3/c1-4-23-16(22)13-12(9-5-6-10(17)11(18)7-9)14(19)8(2)20(3)15(13)21/h5-7H,4H2,1-3H3
InChIKeyKAGHQXABHYBJBH-UHFFFAOYSA-N
XLogP4.50
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.65
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(3,4-dichlorophenyl)-2-methyl-4-oxopyridine-3-carboxylate
CID 22769971
ethyl 5-(3,4-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 67452186
ethyl 2-(3,4-dichlorophenyl)-1-ethyl-6-iodo-4-oxopyridine-3-carboxylate
CID 170604899
ethyl 3-(3,4-dichlorophenyl)-5-hydroxypyridine-4-carboxylate
CID 133092814
ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
CID 91872842
ethyl 3,5-bis(3,4-dichlorophenyl)-1,2-oxazole-4-carboxylate
CID 131868454
ethyl 8-(3,4-dichlorophenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
CID 74538685
ethyl 6-chloro-4-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-methyl-2-oxoquinoline-3-carboxylate;methane
CID 162237682
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 2,6-bis(4-chlorophenyl)-1-methyl-4-oxopyridine-3-carboxylate
CID 22159888
ethyl 2,6-dichloro-3-methylbenzoate
CID 130783153
ethyl 2-amino-4-(4-chloro-3-methylphenyl)-5-methylthiophene-3-carboxylate
CID 39079141

Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate (CID 169258499) is ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate is CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)c(Cl)c(C)n(C)c1=O.
What is the InChIKey of ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate?
The InChIKey is KAGHQXABHYBJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO3/c1-4-23-16(22)13-12(9-5-6-10(17)11(18)7-9)14(19)8(2)20(3)15(13)21/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate?
ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate has a molecular weight of 374.65 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-4-(3,4-dichlorophenyl)-1,6-dimethyl-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 169258499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).